7-(5-methoxy-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene

C15H20N2O — CID 71455357

IUPAC7-(5-methoxy-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene
SMILESCOc1cncc(C2=CC3CC(C2)CN(C)C3)c1
InChIInChI=1S/C15H20N2O/c1-17-9-11-3-12(10-17)5-13(4-11)14-6-15(18-2)8-16-7-14/h4,6-8,11-12H,3,5,9-10H2,1-2H3
InChIKeyPMQMQOADOYNRNP-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.45
Rot. Bonds2

About 7-(5-methoxy-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene

7-(5-methoxy-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene (PubChem CID 71455357) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 7-(5-methoxy-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene.

Molecular Properties

Compound Name7-(5-methoxy-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene
PubChem CID71455357
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name7-(5-methoxy-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene
SMILESCOc1cncc(C2=CC3CC(C2)CN(C)C3)c1
InChIInChI=1S/C15H20N2O/c1-17-9-11-3-12(10-17)5-13(4-11)14-6-15(18-2)8-16-7-14/h4,6-8,11-12H,3,5,9-10H2,1-2H3
InChIKeyPMQMQOADOYNRNP-UHFFFAOYSA-N
XLogP2.45
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(5-methoxy-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene?
The IUPAC name of 7-(5-methoxy-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene (CID 71455357) is 7-(5-methoxy-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene.
What is the SMILES notation for 7-(5-methoxy-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene?
The canonical SMILES for 7-(5-methoxy-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene is COc1cncc(C2=CC3CC(C2)CN(C)C3)c1.
What is the InChIKey of 7-(5-methoxy-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene?
The InChIKey is PMQMQOADOYNRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-17-9-11-3-12(10-17)5-13(4-11)14-6-15(18-2)8-16-7-14/h4,6-8,11-12H,3,5,9-10H2,1-2H3.
What are the key properties of 7-(5-methoxy-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene?
7-(5-methoxy-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene has a molecular weight of 244.34 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methoxy-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene is sourced from PubChem (CID 71455357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).